Sodium ion → 3-(2-bromo-4-fluorophenoxy)-5-(3-methoxyphenylthio)-N-(4-(piperidin-4-yl)thiazol-2-yl)pyridin-2-amine

HRID 1538186Notes

Reaction equation

HRID 1538186 reaction equation
[Br:1][c:2]1[c:3]([O:4][c:5]2[c:6]([NH:20][c:21]3[s:22][cH:23][c:24]([CH:26]4[CH2:27][CH2:28][N:29]([C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:30][CH2:31]4)[n:25]3)[n:7][cH:8][c:9]([S:11][c:12]3[cH:13][c:14]([O:18][CH3:19])[cH:15][cH:16][cH:17]3)[cH:10]2)[cH:39][cH:40][c:41]([F:43])[cH:42]1.[C:52](=[O:53])([O-:54])[O-:55].[Cl:58][CH2:59][Cl:60].[F:44][C:45]([F:46])([F:47])[C:48]([OH:49])=[O:50].[Na+:56].[Na+:57].[OH2:51]>>[Br:1][c:2]1[c:3]([O:4][c:5]2[c:6]([NH:20][c:21]3[s:22][cH:23][c:24]([CH:26]4[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]4)[n:25]3)[n:7][cH:8][c:9]([S:11][c:12]3[cH:13][c:14]([O:18][CH3:19])[cH:15][cH:16][cH:17]3)[cH:10]2)[cH:39][cH:40][c:41]([F:43])[cH:42]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 86631529Tert-butyl 4-(2-(3-(2-bromo-4-fluorophenoxy)-5-(3-methoxyphenylthio)pyridin-2-ylamino)thiazol-4-yl)piperidine-1-carboxylate

Product 1

HCID 577426883-(2-bromo-4-fluorophenoxy)-5-(3-methoxyphenylthio)-N-(4-(piperidin-4-yl)thiazol-2-yl)pyridin-2-amine

Sources & evidence

ORD record
ord-cf573432665847cfb9b46572a58f24ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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